Geometry & MOs

Info

ID:	210188
PubChem CID:	80772432
Reduced:	OSN5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	342.94716
ΔH_f, kcal/mol:	-11.42
Dipole, Da:	3.39
IP(EA), eV:	-8.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-chlorophenyl)-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)SC)NCCCN2CCOCC2

DOS

IR

Vibrations